4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC[C@@H]3C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H24N4O2S/c1-23(2)22(29)25-15-8-3-5-10-17(15)27(23)20(28)14-26-13-7-11-18(26)21-24-16-9-4-6-12-19(16)30-21/h3-6,8-10,12,18H,7,11,13-14H2,1-2H3,(H,25,29)/p+1/t18-/m1/s1